Account Benapenem
- Catalog No. :
- ACRPCG810
- CAS No. :
- 1312953-83-5
- Molecular Formula :
- C22H28N4O7S2
- Molecular Weight :
- 524.62
IUPAC Name:(4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((4-sulfamoylbenzyl)carbamoyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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Product Information
| Product Name | Benapenem |
|---|---|
| IUPAC Name | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((4-sulfamoylbenzyl)carbamoyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Molecular Formula | C22H28N4O7S2 |
| Molecular Weight | 524.62 |
| SMILES | C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NCC4=CC=C(S(N)(=O)=O)C=C4)=O)NC3)[H] |
| InChI Key | JNSMRGMLNPEWLR-PDCLSYJBSA-N |
| Synonym | 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[[[4-(aminosulfonyl)phenyl]methyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)- |
| CAS No. | 1312953-83-5 |
Synthetic Route by SureRoute
2. ACRPCG810 Molecular Building Block Synthetic Route
(4R,5S,6S)-3-(((3S,5S)-5-(Dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
(4R,5S,6S)-3-(((3S,5S)-5-(Dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(4R,5S,6S)-3-(((3S,5S)-1-((2S,3R)-2-((2S,3R)-5-Carboxy-4-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl)-3-hydroxybutanoyl)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid